#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bfy n LYS 2 N 0.00 -2.37 -1.73 3.17 5.02 -1.26 -4.75 118.16 116.24 1bfy n LYS 2 Ca 0.00 1.90 -0.30 0.00 -2.02 0.00 0.00 58.31 57.89 1bfy n LYS 2 Cb 0.00 -2.77 0.06 0.00 -0.02 0.00 0.00 35.03 32.29 1bfy n LYS 2 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1bfy s LYS 3 N -3.71 2.67 -0.02 1.97 1.02 -1.23 -4.44 119.74 116.01 1bfy s LYS 3 Ca 0.00 0.61 -0.07 0.00 0.02 0.00 0.00 55.97 56.53 1bfy s LYS 3 Cb 0.00 -1.99 0.01 0.00 -0.52 0.00 0.00 37.83 35.33 1bfy s LYS 3 CO 0.00 -1.20 0.14 0.71 -0.92 0.00 0.00 175.35 174.08 1bfy s TYR 4 N -3.24 -0.03 -0.04 3.18 1.51 -0.64 -0.24 117.35 117.86 1bfy s TYR 4 Ca 0.59 0.04 -0.06 0.00 -1.01 0.00 0.00 57.07 56.63 1bfy s TYR 4 Cb -0.13 -0.02 -0.04 0.00 -0.11 0.00 0.00 41.96 41.67 1bfy s TYR 4 CO 0.53 -0.22 0.20 -0.08 -1.11 0.00 0.00 175.55 174.88 1bfy s THR 5 N -0.91 5.40 -0.23 -0.71 -1.32 0.99 -0.35 115.64 118.51 1bfy s THR 5 Ca -0.10 0.10 -0.27 0.00 -1.21 0.00 0.00 61.69 60.21 1bfy s THR 5 Cb -0.06 -3.51 0.00 0.00 -1.51 0.00 0.00 72.50 67.43 1bfy s THR 5 CO 0.01 0.44 0.93 0.00 -2.21 0.00 0.00 174.62 173.79 1bfy n THR 7 N 5.25 0.00 -1.82 0.00 -1.04 -1.26 -0.65 114.28 114.77 1bfy n THR 7 Ca 0.08 1.19 -0.39 0.00 -2.04 0.00 0.00 64.05 62.90 1bfy n THR 7 Cb 0.47 -1.73 0.04 0.00 -1.82 0.00 0.00 70.33 67.29 1bfy n THR 7 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1bfy n VAL 8 N -1.71 3.59 0.22 12.58 3.14 -1.26 -4.29 118.33 130.60 1bfy n VAL 8 Ca 0.00 -4.05 0.00 0.00 -2.96 0.00 0.00 64.34 57.33 1bfy n VAL 8 Cb 0.00 -1.24 0.00 0.00 -1.06 0.00 0.00 33.84 31.54 1bfy n VAL 8 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1bfy n GLY 10 N -1.48 1.42 3.75 0.00 0.00 0.18 -5.03 105.19 104.03 1bfy n GLY 10 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1bfy n GLY 10 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bfy n TYR 11 N -2.00 2.52 -4.00 1.61 4.01 -1.26 -4.63 117.16 113.41 1bfy n TYR 11 Ca 0.00 0.45 -0.35 0.00 -0.16 0.00 0.00 57.90 57.84 1bfy n TYR 11 Cb 0.00 -2.43 -0.14 0.00 -0.31 0.00 0.00 39.34 36.46 1bfy n TYR 11 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1bfy s ILE 12 N -1.21 3.36 0.24 -0.72 1.01 -1.26 -0.19 121.20 122.42 1bfy s ILE 12 Ca 0.63 -0.50 -0.28 0.00 0.00 0.00 0.00 60.65 60.49 1bfy s ILE 12 Cb -0.45 -2.52 -0.09 0.00 0.01 0.00 0.00 42.46 39.41 1bfy s ILE 12 CO 0.56 0.44 0.90 -0.47 0.00 0.00 0.00 174.94 176.37 1bfy s TYR 13 N 1.34 3.92 -0.15 3.97 5.04 0.52 -4.94 117.35 127.06 1bfy s TYR 13 Ca 0.04 1.83 0.00 0.00 -2.44 0.00 0.00 57.07 56.51 1bfy s TYR 13 Cb -0.14 -2.92 0.02 0.00 0.35 0.00 0.00 41.96 39.27 1bfy s TYR 13 CO -0.02 0.43 -0.14 1.21 -1.34 0.00 0.00 175.55 175.69 1bfy s ASN 14 N -1.25 2.66 0.15 4.32 3.84 -1.26 -1.62 114.94 121.78 1bfy s ASN 14 Ca 0.41 -0.48 -0.11 0.00 0.21 0.00 0.00 52.86 52.89 1bfy s ASN 14 Cb -0.24 -1.17 -0.02 0.00 -0.55 0.00 0.00 41.25 39.28 1bfy s ASN 14 CO 0.29 -0.06 1.52 1.55 -2.79 0.00 0.00 177.10 177.61 1bfy h PRO 15 N 8.05 0.94 -0.10 0.43 0.13 -1.79 0.43 132.00 140.09 1bfy h PRO 15 Ca -0.38 -0.43 -0.00 0.00 -0.87 0.00 0.00 66.00 64.32 1bfy h PRO 15 Cb 1.14 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1bfy h PRO 15 CO 0.52 1.09 0.05 0.93 -0.23 0.00 0.00 178.00 180.36 1bfy h GLU 16 N 0.78 0.14 0.00 0.86 5.08 -1.93 0.50 114.58 120.01 1bfy h GLU 16 Ca 0.09 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.17 1bfy h GLU 16 Cb 0.83 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.00 1bfy h GLU 16 CO 0.07 0.11 -1.67 -0.25 -1.00 0.00 0.00 179.01 176.27 1bfy n ASP 17 N -4.50 0.88 -0.00 1.42 8.00 -1.14 -3.73 116.55 117.48 1bfy n ASP 17 Ca -0.01 0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.90 1bfy n ASP 17 Cb 0.10 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1bfy n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bfy n GLY 18 N 1.53 0.39 2.20 0.44 0.00 0.15 -3.79 105.19 106.12 1bfy n GLY 18 Ca -0.16 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.73 1bfy n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bfy n ASP 19 N -2.33 0.74 0.12 1.61 8.00 0.90 -4.45 116.55 121.14 1bfy n ASP 19 Ca 0.00 -2.94 0.05 0.00 0.71 0.00 0.00 54.79 52.60 1bfy n ASP 19 Cb 0.00 -0.62 0.47 0.00 -0.02 0.00 0.00 41.12 40.95 1bfy n ASP 19 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1bfy h PRO 20 N 3.24 0.27 -0.42 -0.24 0.13 -1.12 0.97 132.00 134.83 1bfy h PRO 20 Ca 0.09 -0.03 0.08 0.00 -0.87 0.00 0.00 66.00 65.27 1bfy h PRO 20 Cb 0.94 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.00 1bfy h PRO 20 CO 0.50 0.26 0.29 -0.44 -0.23 0.00 0.00 178.00 178.37 1bfy h ASP 21 N 0.27 0.18 0.18 1.44 5.19 -1.95 -2.15 116.42 119.59 1bfy h ASP 21 Ca 0.07 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.13 1bfy h ASP 21 Cb 0.12 -0.04 -0.06 0.00 0.18 0.00 0.00 39.33 39.54 1bfy h ASP 21 CO -0.00 0.11 -2.12 0.59 -3.12 0.00 0.00 179.24 174.70 1bfy n ASN 22 N -4.46 0.85 0.00 6.45 3.02 -0.22 -4.99 115.26 115.91 1bfy n ASN 22 Ca 0.06 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1bfy n ASN 22 Cb 0.35 0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 1bfy n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bfy n GLY 23 N 1.79 -0.40 3.23 7.41 0.00 0.15 -4.93 105.19 112.44 1bfy n GLY 23 Ca -0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 1bfy n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bfy s VAL 24 N -0.12 3.25 0.75 1.61 1.01 -0.13 -4.89 120.40 121.89 1bfy s VAL 24 Ca 0.00 -1.09 -0.14 0.00 0.00 0.00 0.00 61.98 60.75 1bfy s VAL 24 Cb 0.00 -2.75 0.05 0.00 0.00 0.00 0.00 36.38 33.68 1bfy s VAL 24 CO 0.00 0.02 1.16 0.20 0.00 0.00 0.00 175.10 176.49 1bfy s ASN 25 N 1.35 4.22 0.60 3.32 0.01 -1.26 -0.07 114.94 123.11 1bfy s ASN 25 Ca -0.01 2.19 -0.20 0.00 -0.71 0.00 0.00 52.86 54.13 1bfy s ASN 25 Cb -0.18 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 38.88 1bfy s ASN 25 CO -0.01 -2.23 1.31 -0.81 -1.51 0.00 0.00 177.10 173.85 1bfy n PRO 26 N -2.99 1.37 -1.13 -0.60 -0.04 -1.25 -2.65 135.00 127.70 1bfy n PRO 26 Ca 0.12 0.52 -0.05 0.00 -0.04 0.00 0.00 63.50 64.05 1bfy n PRO 26 Cb 0.51 -2.54 -0.02 0.00 -0.04 0.00 0.00 33.50 31.41 1bfy n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bfy n GLY 27 N 0.86 0.73 3.61 0.55 0.00 0.16 -4.85 105.19 106.26 1bfy n GLY 27 Ca 0.13 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 1bfy n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bfy s THR 28 N -2.09 4.85 0.27 2.61 2.01 -1.09 -4.96 115.64 117.25 1bfy s THR 28 Ca 0.00 1.12 -0.31 0.00 0.31 0.00 0.00 61.69 62.81 1bfy s THR 28 Cb 0.00 -4.09 -0.12 0.00 0.01 0.00 0.00 72.50 68.30 1bfy s THR 28 CO 0.00 -0.19 1.55 -0.67 -0.69 0.00 0.00 174.62 174.63 1bfy n ASP 29 N 6.06 3.53 -0.32 3.53 -0.08 -1.26 -4.51 116.55 123.50 1bfy n ASP 29 Ca 0.02 1.14 0.31 0.00 -1.51 0.00 0.00 54.79 54.75 1bfy n ASP 29 Cb 0.48 -1.54 0.58 0.00 2.34 0.00 0.00 41.12 42.98 1bfy n ASP 29 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1bfy h PHE 30 N 4.85 0.83 -0.39 -0.67 3.04 -1.86 0.32 116.94 123.06 1bfy h PHE 30 Ca -0.46 0.04 -0.13 0.00 3.98 0.00 0.00 57.97 61.40 1bfy h PHE 30 Cb 1.24 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.54 1bfy h PHE 30 CO 0.58 -0.45 -0.28 1.57 -2.02 0.00 0.00 178.31 177.72 1bfy h LYS 31 N 0.03 0.83 0.00 1.11 2.10 -1.93 -2.96 116.57 115.74 1bfy h LYS 31 Ca 0.84 -0.37 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 1bfy h LYS 31 Cb 2.18 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.49 1bfy h LYS 31 CO -0.76 1.00 0.00 -0.44 -2.00 0.00 0.00 179.45 177.26 1bfy h ASP 32 N 0.71 0.00 -2.62 7.07 3.32 -0.78 -3.45 116.42 120.66 1bfy h ASP 32 Ca 0.08 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.55 1bfy h ASP 32 Cb 0.82 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.45 1bfy h ASP 32 CO 0.07 0.00 0.65 -0.38 -1.72 0.00 0.00 179.24 177.86 1bfy n ILE 33 N -2.40 0.78 -1.72 0.35 5.41 -0.45 -4.92 119.36 116.41 1bfy n ILE 33 Ca 0.05 -0.19 -0.42 0.00 1.00 0.00 0.00 62.75 63.18 1bfy n ILE 33 Cb 0.41 -1.50 -0.01 0.00 -0.71 0.00 0.00 39.64 37.83 1bfy n ILE 33 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1bfy n PRO 34 N 2.28 2.42 0.26 0.38 -0.02 -1.26 -4.89 135.00 134.16 1bfy n PRO 34 Ca 0.12 0.85 0.17 0.00 -2.02 0.00 0.00 63.50 62.63 1bfy n PRO 34 Cb 0.31 -2.55 0.80 0.00 -0.02 0.00 0.00 33.50 32.04 1bfy n PRO 34 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1bfy h ASP 35 N 3.72 0.00 0.53 2.55 5.19 -1.93 -0.45 116.42 126.02 1bfy h ASP 35 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1bfy h ASP 35 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1bfy h ASP 35 CO 0.71 0.00 -0.09 -0.90 -3.12 0.00 0.00 179.24 175.84 1bfy n ASP 36 N -2.84 0.26 -4.77 6.45 5.75 -1.26 -4.87 116.55 115.27 1bfy n ASP 36 Ca -0.00 -0.26 -0.31 0.00 -0.01 0.00 0.00 54.79 54.21 1bfy n ASP 36 Cb 0.19 -0.17 0.09 0.00 -1.03 0.00 0.00 41.12 40.20 1bfy n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1bfy s TRP 37 N -2.62 2.57 0.02 2.11 -0.00 -0.18 -5.08 118.94 115.76 1bfy s TRP 37 Ca 0.25 1.53 0.00 0.00 -0.00 0.00 0.00 56.10 57.88 1bfy s TRP 37 Cb 0.20 -3.05 -0.02 0.00 -0.00 0.00 0.00 33.47 30.59 1bfy s TRP 37 CO 0.50 -1.83 -0.04 0.14 -0.00 0.00 0.00 176.95 175.72 1bfy s VAL 38 N -2.91 0.17 0.65 5.86 -7.23 -1.26 -4.53 120.40 111.14 1bfy s VAL 38 Ca 0.61 -0.95 -0.08 0.00 -1.81 0.00 0.00 61.98 59.75 1bfy s VAL 38 Cb -0.17 -0.32 0.02 0.00 0.56 0.00 0.00 36.38 36.46 1bfy s VAL 38 CO 0.56 -0.49 0.99 0.00 -0.31 0.00 0.00 175.10 175.85 1bfy s PRO 40 N -5.17 4.29 -0.89 0.00 0.04 -1.26 -3.57 135.00 128.45 1bfy s PRO 40 Ca 0.56 1.85 -0.04 0.00 0.04 0.00 0.00 61.00 63.42 1bfy s PRO 40 Cb -0.11 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.82 1bfy s PRO 40 CO 0.48 -0.57 0.76 1.28 0.04 0.00 0.00 177.00 178.98 1bfy n LEU 41 N 5.61 -3.15 -4.33 -3.56 4.77 -1.26 -4.99 117.00 110.09 1bfy n LEU 41 Ca 0.13 -0.39 -0.21 0.00 -0.03 0.00 0.00 56.01 55.51 1bfy n LEU 41 Cb 0.44 -2.27 -0.08 0.00 -2.33 0.00 0.00 43.42 39.19 1bfy n LEU 41 CO 0.57 0.37 -0.12 0.00 -1.33 0.00 0.00 177.39 176.89 1bfy n GLY 43 N -0.69 -0.25 3.53 0.00 0.00 -1.26 -4.90 105.19 101.62 1bfy n GLY 43 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1bfy n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bfy s VAL 44 N 0.00 4.03 0.02 1.61 0.11 -1.26 -4.85 120.40 120.06 1bfy s VAL 44 Ca 0.00 0.30 0.02 0.00 -2.93 0.00 0.00 61.98 59.38 1bfy s VAL 44 Cb 0.00 -4.76 -0.04 0.00 -1.53 0.00 0.00 36.38 30.05 1bfy s VAL 44 CO 0.00 -1.54 -0.01 -0.83 -3.33 0.00 0.00 175.10 169.39 1bfy s GLY 45 N 3.42 1.87 -0.15 6.54 0.00 -1.26 -4.85 107.32 112.88 1bfy s GLY 45 Ca 0.33 -1.00 -0.10 0.00 0.00 0.00 0.00 44.72 43.94 1bfy s GLY 45 CO 0.17 -0.89 0.21 1.17 0.00 0.00 0.00 173.10 173.75 1bfy n LYS 46 N 1.23 -4.70 0.00 2.90 4.81 -1.26 -4.54 118.16 116.60 1bfy n LYS 46 Ca -0.14 3.51 0.00 0.00 -0.87 0.00 0.00 58.31 60.81 1bfy n LYS 46 Cb 0.52 -4.96 0.00 0.00 0.02 0.00 0.00 35.03 30.61 1bfy n LYS 46 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1bfy n ASP 47 N 1.77 0.00 -2.89 3.14 8.00 -1.26 -5.01 116.55 120.30 1bfy n ASP 47 Ca -0.35 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.02 1bfy n ASP 47 Cb 0.54 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.67 1bfy n ASP 47 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1bfy n GLN 48 N -1.64 1.06 -1.54 -1.24 0.00 -1.26 -5.12 117.38 107.64 1bfy n GLN 48 Ca 0.00 -2.98 -0.37 0.00 -0.00 0.00 0.00 57.00 53.65 1bfy n GLN 48 Cb 0.00 -1.27 0.06 0.00 0.00 0.00 0.00 30.24 29.03 1bfy n GLN 48 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1bfy n PHE 49 N 0.07 0.73 -3.18 3.69 3.01 -1.26 -4.94 117.46 115.58 1bfy n PHE 49 Ca 0.14 0.42 -0.32 0.00 1.01 0.00 0.00 57.45 58.70 1bfy n PHE 49 Cb 0.74 -2.11 -0.05 0.00 -0.01 0.00 0.00 39.48 38.05 1bfy n PHE 49 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1bfy s GLU 50 N -2.96 3.90 0.36 -1.08 2.02 -0.89 -4.87 118.70 115.18 1bfy s GLU 50 Ca 0.76 0.51 -0.25 0.00 0.02 0.00 0.00 54.97 56.01 1bfy s GLU 50 Cb -0.39 -2.49 -0.10 0.00 0.10 0.00 0.00 34.13 31.26 1bfy s GLU 50 CO 0.48 0.17 0.97 -2.00 0.02 0.00 0.00 175.26 174.90 1bfy s GLU 51 N -3.09 4.42 -0.31 1.61 2.12 -1.26 -0.01 118.70 122.18 1bfy s GLU 51 Ca 0.52 1.33 -0.05 0.00 0.36 0.00 0.00 54.97 57.13 1bfy s GLU 51 Cb -0.10 -2.62 0.03 0.00 0.26 0.00 0.00 34.13 31.70 1bfy s GLU 51 CO 0.21 0.12 0.06 0.08 -0.54 0.00 0.00 175.26 175.19 1bfy s VAL 52 N -1.74 3.58 -0.90 3.70 1.01 0.66 -4.72 120.40 122.00 1bfy s VAL 52 Ca 0.54 -1.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 1bfy s VAL 52 Cb -0.18 -2.98 -0.11 0.00 0.00 0.00 0.00 36.38 33.12 1bfy s VAL 52 CO 0.23 -0.08 2.03 -1.84 0.00 0.00 0.00 175.10 175.44 1bfy n GLU 53 N 4.77 1.84 0.00 2.72 0.28 -1.26 -3.51 120.64 125.48 1bfy n GLU 53 Ca -0.13 -1.82 0.00 0.00 -0.16 0.00 0.00 57.16 55.05 1bfy n GLU 53 Cb 0.45 -2.82 0.01 0.00 1.43 0.00 0.00 31.44 30.51 1bfy n GLU 53 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12